Indimicin A

Details

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Internal ID d07765ba-4d27-4c61-94bb-5fa3a6cbdce8
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles
IUPAC Name (2S,10R)-7,19-dichloro-3,10,13-trimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),4(9),5,7,11,14,17(22),18,20-nonaene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H19Cl2N3/c1-23-16-9-13(25)5-7-19(16)28(3)22(23)21-20(15-10-27(2)11-17(15)23)14-8-12(24)4-6-18(14)26-21/h4-11,22,26H,1-3H3/t22-,23+/m1/s1
InChI Key VOENECZXFQZIKA-PKTZIBPZSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H19Cl2N3
Molecular Weight 408.30 g/mol
Exact Mass 407.0956030 g/mol
Topological Polar Surface Area (TPSA) 24.00 Ų
XlogP 5.50

Synonyms

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CHEMBL3326887

2D Structure

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2D Structure of Indimicin A

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.66% 94.45%
CHEMBL1163125 O60885 Bromodomain-containing protein 4 96.10% 97.31%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 95.64% 86.92%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.61% 96.09%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 91.97% 90.71%
CHEMBL3492 P49721 Proteasome Macropain subunit 91.86% 90.24%
CHEMBL222 P23975 Norepinephrine transporter 91.05% 96.06%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.96% 91.11%
CHEMBL4208 P20618 Proteasome component C5 89.91% 90.00%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 89.48% 96.00%
CHEMBL2581 P07339 Cathepsin D 88.88% 98.95%
CHEMBL2000 P03952 Plasma kallikrein 88.35% 93.92%
CHEMBL240 Q12809 HERG 88.00% 89.76%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.70% 95.56%
CHEMBL5314 Q06418 Tyrosine-protein kinase receptor TYRO3 87.05% 96.00%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.42% 82.69%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 86.38% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.18% 95.89%
CHEMBL1937 Q92769 Histone deacetylase 2 85.27% 94.75%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 84.21% 85.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.80% 93.40%
CHEMBL3430907 Q96GD4 Aurora kinase B/Inner centromere protein 83.30% 97.50%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.06% 94.00%
CHEMBL255 P29275 Adenosine A2b receptor 82.65% 98.59%
CHEMBL217 P14416 Dopamine D2 receptor 81.71% 95.62%
CHEMBL2820 P03951 Coagulation factor XI 81.15% 95.29%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 80.97% 85.49%
CHEMBL1293289 P25440 Bromodomain-containing protein 2 80.76% 86.19%
CHEMBL5747 Q92793 CREB-binding protein 80.33% 95.12%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 80.16% 81.14%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 86342557
LOTUS LTS0195051
wikiData Q75064922